magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)

C72H48F40MgMn2O6 — CID 11506435

IUPACmagnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Mg+2].[Mn+3].[Mn+3]
InChIInChI=1S/8C6F5.6C4H8O.Mg.2Mn/c8*7-2-1-3(8)5(10)6(11)4(2)9;6*1-2-4-5-3-1;;;/h;;;;;;;;6*1-4H2;;;/q8*-1;;;;;;;+2;2*+3
InChIKeyWDZJJVVNBPKDLT-UHFFFAOYSA-N
MW1903.27 g/mol
LogP21.85
Rot. Bonds

About magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)

magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide) (PubChem CID 11506435) has the molecular formula C72H48F40MgMn2O6 and a molecular weight of 1903.27 g/mol. Its IUPAC name is magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide).

Molecular Properties

Compound Namemagnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)
PubChem CID11506435
Molecular FormulaC72H48F40MgMn2O6
Molecular Weight1903.27 g/mol
Exact Mass1902.14
IUPAC Namemagnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Mg+2].[Mn+3].[Mn+3]
InChIInChI=1S/8C6F5.6C4H8O.Mg.2Mn/c8*7-2-1-3(8)5(10)6(11)4(2)9;6*1-2-4-5-3-1;;;/h;;;;;;;;6*1-4H2;;;/q8*-1;;;;;;;+2;2*+3
InChIKeyWDZJJVVNBPKDLT-UHFFFAOYSA-N
XLogP21.85
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001903.27
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)?
The IUPAC name of magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide) (CID 11506435) is magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide).
What is the SMILES notation for magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)?
The canonical SMILES for magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide) is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Mg+2].[Mn+3].[Mn+3].
What is the InChIKey of magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)?
The InChIKey is WDZJJVVNBPKDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/8C6F5.6C4H8O.Mg.2Mn/c8*7-2-1-3(8)5(10)6(11)4(2)9;6*1-2-4-5-3-1;;;/h;;;;;;;;6*1-4H2;;;/q8*-1;;;;;;;+2;2*+3.
What are the key properties of magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)?
magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide) has a molecular weight of 1903.27 g/mol, XLogP of 21.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide) is sourced from PubChem (CID 11506435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).